1-(2-bromophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol

C14H17BrN2O2 — CID 3844024

IUPAC1-(2-bromophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
SMILESCc1cc(C)n(CC(O)COc2ccccc2Br)n1
InChIInChI=1S/C14H17BrN2O2/c1-10-7-11(2)17(16-10)8-12(18)9-19-14-6-4-3-5-13(14)15/h3-7,12,18H,8-9H2,1-2H3
InChIKeyGLLBCWIEZIGBTF-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.70
Rot. Bonds5

About 1-(2-bromophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol

1-(2-bromophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol (PubChem CID 3844024) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 1-(2-bromophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-bromophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
PubChem CID3844024
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name1-(2-bromophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
SMILESCc1cc(C)n(CC(O)COc2ccccc2Br)n1
InChIInChI=1S/C14H17BrN2O2/c1-10-7-11(2)17(16-10)8-12(18)9-19-14-6-4-3-5-13(14)15/h3-7,12,18H,8-9H2,1-2H3
InChIKeyGLLBCWIEZIGBTF-UHFFFAOYSA-N
XLogP2.70
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol?
The IUPAC name of 1-(2-bromophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol (CID 3844024) is 1-(2-bromophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2-bromophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(2-bromophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol is Cc1cc(C)n(CC(O)COc2ccccc2Br)n1.
What is the InChIKey of 1-(2-bromophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol?
The InChIKey is GLLBCWIEZIGBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-10-7-11(2)17(16-10)8-12(18)9-19-14-6-4-3-5-13(14)15/h3-7,12,18H,8-9H2,1-2H3.
What are the key properties of 1-(2-bromophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol?
1-(2-bromophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol has a molecular weight of 325.21 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 3844024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).